⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1883787 | 0.86 | TSHR (0.61) | — | |
| SCHEMBL2357535 | 0.85 | TSHR (0.54) | — | |
| SCHEMBL9516420 | 0.83 | TSHR (0.52) | — | |
| Toluene SCHEMBL10480736 | 0.82 | CYP2C19 (0.37) | — | |
| SCHEMBL3645617 | 0.80 | — | — | |
| SCHEMBL2163231 | 0.80 | — | — | |
| SCHEMBL5134464 | 0.80 | — | — | |
| SCHEMBL3126495 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL25135488 | 0.79 | — | — | |
| SCHEMBL514688 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904445-B1 | PROCESS FOR MAKING HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-03-02 | — | — | EP | claimed |
| US-20070015923-A1 | Process for making hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. | 2007-01-18 | — | — | US | claimed |
| EP-1098699-B1 | PRODUCTION OF GLYCOL MONOESTER | EASTMAN CHEM CO (US) | 2003-05-14 | — | — | EP | claimed |
| JP-2002519274-A | — | — | 2002-07-02 | — | — | JP | claimed |
| EP-1098699-A1 | BASIC CLAY CATALYST FOR THE PRODUCTION OF GLYCOL MONOESTER | EASTMAN CHEMICAL COMPANY (US) | 2001-05-16 | — | — | EP | claimed |
| US-6215020-B1 | COMPRISING HEATING IN A REACTION VESSEL AN ALDEHYDE AND A CATALYTIC AMOUNT OF A BASE-MODIFIED CLAY, TO PRODUCE A GLYCOL MONOESTER | EASTMAN CHEMICAL COMPANY | 2001-04-10 | — | — | US | claimed |
| WO-2000000282-A1 | BASIC CLAY CATALYST FOR THE PRODUCTION OF GLYCOL MONOESTER | EASTMAN CHEMICAL COMPANY (US) | 2000-01-06 | — | — | WO | claimed |
| WO-2000000456-A1 | PREPARATION OF AN ALDOL USING A BASE-MODIFIED CLAY CATALYST | EASTMAN CHEMICAL COMPANY (US) | 2000-01-06 | — | — | WO | claimed |
| US-4317925-A | Process for the production of di-n-propylacetic acid | RUHRCHEMIE AKTIENGESELLSCHAFT (DE) | 1982-03-02 | — | — | US | claimed |
| EP-0010235-B1 | 2-PROPYLPENT-4-EN 1-AL AND PROCESS FOR ITS PREPARATION | Ruhrchemie Aktiengesellschaft (DE) | 1981-12-23 | — | — | EP | claimed |
| US-4307252-A | 2-Propyl-pent-4-en-1-al | RUHRCHEMIE AKTIENGESELLSCHAFT (DE) | 1981-12-22 | — | — | US | claimed |
| US-4270008-A | 2-Propyl-pent-4-en-1-al | RUHRCHEMIE AKTIENGESELLSCHAFT (DE) | 1981-05-26 | — | — | US | claimed |
| EP-0010235-A1 | 2-Propylpent-4-en 1-al and process for its preparation | Ruhrchemie Aktiengesellschaft (DE) | 1980-04-30 | — | — | EP | claimed |
| US-9447080-B2 | Viral polymerase inhibitors | BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) | 2016-09-20 | — | — | US | disclosed |
| US-9120775-B2 | Viral polymerase inhibitors | BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) | 2015-09-01 | — | — | US | disclosed |
| EP-1170308-B1 | Process for producing a copolymer of a non-polar olefin and a polar olefin | MITSUI CHEMICALS INC (JP) | 2015-05-06 | — | — | EP | disclosed |
| EP-0010235-A1 | 2-Propylpent-4-en 1-al and process for its preparation | Ruhrchemie Aktiengesellschaft (DE) | 1980-04-30 | — | — | EP | disclosed |
| EP-0010235-A1 | 2-Propylpent-4-en 1-al and process for its preparation | Ruhrchemie Aktiengesellschaft (DE) | 1980-04-30 | — | — | EP | disclosed |
| EP-0010235-A1 | 2-Propylpent-4-en 1-al and process for its preparation | Ruhrchemie Aktiengesellschaft (DE) | 1980-04-30 | — | — | EP | disclosed |
| US-4060691-A | 7-{3-Hydroxy-2-[4-hydroxy-4-(lower alkyl)-trans-1-octen-1-yl]-5-oxocyclopent-1-yl}heptanoic acids and esters | G. D. SEARLE & CO. (US) | 1977-11-29 | — | — | US | disclosed |